Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C7H4O3.4C6H10O7.2C2H3O2.2Al.8Na |
| Molecular Weight | 1404.7366 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Al+3].[Al+3].CC([O-])=O.CC([O-])=O.[O-]C(=O)C1=C([O-])C=CC=C1.[O-]C(=O)C2=C([O-])C=CC=C2.OC[C@@H](O)[C@@H](O)[C@H]([O-])[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H]([O-])[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H]([O-])[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H]([O-])[C@@H](O)C([O-])=O
InChI
InChIKey=HJAMYFDJZRENPI-WPGRGSHLSA-D
InChI=1S/2C7H6O3.4C6H11O7.2C2H4O2.2Al.8Na/c2*8-6-4-2-1-3-5(6)7(9)10;4*7-1-2(8)3(9)4(10)5(11)6(12)13;2*1-2(3)4;;;;;;;;;;/h2*1-4,8H,(H,9,10);4*2-5,7-9,11H,1H2,(H,12,13);2*1H3,(H,3,4);;;;;;;;;;/q;;4*-1;;;2*+3;8*+1/p-10/t;;4*2-,3-,4+,5-;;;;;;;;;;;;/m..1111............/s1
| Molecular Formula | C2H3O2 |
| Molecular Weight | 59.044 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H10O7 |
| Molecular Weight | 194.1394 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Al |
| Molecular Weight | 26.9815386 |
| Charge | 3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C7H4O3 |
| Molecular Weight | 136.1049 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:25:00 GMT 2025
by
admin
on
Mon Mar 31 23:25:00 GMT 2025
|
| Record UNII |
N3HOV1W61U
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
300000056470
Created by
admin on Mon Mar 31 23:25:00 GMT 2025 , Edited by admin on Mon Mar 31 23:25:00 GMT 2025
|
PRIMARY | |||
|
N3HOV1W61U
Created by
admin on Mon Mar 31 23:25:00 GMT 2025 , Edited by admin on Mon Mar 31 23:25:00 GMT 2025
|
PRIMARY | |||
|
76971748
Created by
admin on Mon Mar 31 23:25:00 GMT 2025 , Edited by admin on Mon Mar 31 23:25:00 GMT 2025
|
PRIMARY | |||
|
12214-50-5
Created by
admin on Mon Mar 31 23:25:00 GMT 2025 , Edited by admin on Mon Mar 31 23:25:00 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SOLVATE->ANHYDROUS |
